MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001570
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001570
RECORD_TITLE: CARVEOL(AXIAL); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CARVEOL(AXIAL)
CH$NAME: 2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXENE-1-OL(AXIAL)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(=C)C(C1)CC(O)C(C)=C1
CH$IUPAC: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3
CH$LINK: INCHIKEY
BAVONGHXFVOKBV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3024736
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-9300000000-c0df06475a23b1847e64
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
27 18.02 180
28 3.3 33
29 13.04 130
31 2.65 27
38 1.37 14
39 30.03 300
40 6.13 61
41 46.83 468
42 3.97 40
43 25.05 251
44 2.99 30
45 2.37 24
50 1.95 20
51 7.41 74
52 3.49 35
53 19.03 190
54 5.62 56
55 38.88 389
56 21.3 213
57 2.96 30
58 1.31 13
59 2.85 29
61 1.76 18
63 2.49 25
65 9.23 92
66 4.33 43
67 22.9 229
68 8.59 86
69 26.65 267
70 1.7 17
71 3.52 35
72 3.02 30
77 17.02 170
78 4 40
79 24.49 245
80 25.05 251
81 25.95 260
82 8.79 88
83 37.51 375
84 99.99 999
85 6.18 62
91 23.01 230
92 14.83 148
93 33.11 331
94 20.29 203
95 16.32 163
96 7.19 72
97 8.95 90
103 1.62 16
105 10.63 106
106 5.59 56
107 11.89 119
108 9.93 99
109 57.36 574
110 7.27 73
111 2.12 21
115 1.43 14
117 2.37 24
119 26.31 263
120 3.24 32
121 3.49 35
123 11.67 117
124 2.65 27
133 1.67 17
134 67.24 672
135 11.22 112
136 1.81 18
137 12.7 127
138 1.53 15
150 1.11 11
151 2.79 28
152 11.33 113
153 1.53 15
//